Mol:FLIA1LNS0012

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.3617    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2491    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2491    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4196   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4196   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034   -1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9178    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928   -0.7727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144    0.9023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034    0.2159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9178   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  7 19  2  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1 OCH3
M  SBV   1 23   -4.9190    5.1599
S  SKP  8
ID	FLIA1LNS0012
KNApSAcK_ID	C00009813
NAME	7,2',4'-Trihydroxy-3'-methoxyisoflavone
CAS_RN	90851-02-8
FORMULA	C16H12O6
EXACTMASS	300.063388116
AVERAGEMASS	300.26288
SMILES	COc(c(O)3)c(O)c(cc3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1
M  END

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